Orca 4.2.1 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 S O N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 1 2 3 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-2.6245,.2062,1.1878;-2.6264,.3652,-2.5703;-2.2638,-.2541,-.4005;2.2299,-.2377,-.1057;.7546,-.474,.1954;2.9811,.3718,1.0722;.0093,-1.1048,-.9728;4.4224,.7673,.7607;-1.4501,-1.4253,-.6869;5.3288,-.3695,.2934;5.4451,-1.5157,1.2872;-2.7936,.5568,-1.3713;-3.5546,1.6164,-.7262;-3.5397,1.535,.6137;2.3205,.422,-.9761;2.6929,-1.1866,-.3956;.2916,.4809,.4632;.6628,-1.1179,1.0775;2.9563,-.3236,1.9177;2.4456,1.2649,1.4107;.4919,-2.0474,-1.2488;.0729,-.4595,-1.8532;4.8614,1.224,1.6539;4.4165,1.5507,-.0041;-1.5322,-2.1112,.1582;-1.8999,-1.9326,-1.541;4.9818,-.7557,-.6695;6.3245,.041,.103;6.175,-2.2547,.9524;5.7666,-1.1609,2.2692;4.4979,-2.0406,1.4235;-4.0722,2.3789,-1.2884;-4.0212,2.1934,1.3223; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on Number of auxiliary basis functions 897 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 116 Dim 711 ENuc 993.4880592550 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVNR off CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package LIBINT DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 4.187e-05 Time for diagonalization 0.162 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.112 sec Total time needed 0.276 sec 16 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-2.6245,.2062,1.1878;-2.6264,.3652,-2.5703;-2.2638,-.2541,-.4005;2.2299,-.2377,-.1057;.7546,-.474,.1954;2.9811,.3718,1.0722;.0093,-1.1048,-.9728;4.4224,.7673,.7607;-1.4501,-1.4253,-.6869;5.3288,-.3695,.2934;5.4451,-1.5157,1.2872;-2.7936,.5568,-1.3713;-3.5546,1.6164,-.7262;-3.5397,1.535,.6137;2.3205,.422,-.9761;2.6929,-1.1866,-.3956;.2916,.4809,.4632;.6628,-1.1179,1.0775;2.9563,-.3236,1.9177;2.4456,1.2649,1.4107;.4919,-2.0474,-1.2488;.0729,-.4595,-1.8532;4.8614,1.224,1.6539;4.4165,1.5507,-.0041;-1.5322,-2.1112,.1582;-1.8999,-1.9326,-1.541;4.9818,-.7557,-.6695;6.3245,.041,.103;6.175,-2.2547,.9524;5.7666,-1.1609,2.2692;4.4979,-2.0406,1.4235;-4.0722,2.3789,-1.2884;-4.0212,2.1934,1.3223; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX GRIDX6 NOFINALGRIDX grid4 nofinalgrid scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 8 cpcm smd true smdsolvent "1-OCTANOL" 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-2.6245,.2062,1.1878;-2.6264,.3652,-2.5703;-2.2638,-.2541,-.4005;2.2299,-.2377,-.1057;.7546,-.474,.1954;2.9811,.3718,1.0722;.0093,-1.1048,-.9728;4.4224,.7673,.7607;-1.4501,-1.4253,-.6869;5.3288,-.3695,.2934;5.4451,-1.5157,1.2872;-2.7936,.5568,-1.3713;-3.5546,1.6164,-.7262;-3.5397,1.535,.6137;2.3205,.422,-.9761;2.6929,-1.1866,-.3956;.2916,.4809,.4632;.6628,-1.1179,1.0775;2.9563,-.3236,1.9177;2.4456,1.2649,1.4107;.4919,-2.0474,-1.2488;.0729,-.4595,-1.8532;4.8614,1.224,1.6539;4.4165,1.5507,-.0041;-1.5322,-2.1112,.1582;-1.8999,-1.9326,-1.541;4.9818,-.7557,-.6695;6.3245,.041,.103;6.175,-2.2547,.9524;5.7666,-1.1609,2.2692;4.4979,-2.0406,1.4235;-4.0722,2.3789,-1.2884;-4.0212,2.1934,1.3223; Epsilon 9.8629 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES Epsilon function type CPCM S O N C H 2.4900 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.2s) GEPOL surface points 1252 GEPOL Volume 1738.7263 GEPOL Surface-area 942.8028 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.1s) Overall time for CPCM initialization 0.4s -958.86444543 993.48805925 -1952.35250468 -3281.37293698 1329.02043229 -0.02080271 -1914.37427010 955.50982467 2.00351082 57.999914050605 57.999914050605 115.999828101209 -75.344568274435 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2422.1076 -522.4366 -394.1024 -282.5480 -281.0957 -280.6766 -279.9439 -279.3849 -279.2533 -279.1573 -279.1560 -279.1196 -279.1127 -278.9714 -220.5219 -164.8975 -164.7255 -164.6114 -31.7069 -29.5790 -26.0713 -25.1589 -24.4010 -23.3873 -23.3228 -22.1825 -20.9062 -19.7630 -19.4528 -18.9601 -17.8600 -17.6931 -16.5338 -15.9252 -15.6873 -15.3365 -15.0501 -14.9745 -14.4969 -14.3229 -13.9817 -13.9053 -13.3071 -13.0558 -12.9974 -12.7629 -12.4272 -12.2837 -11.9394 -11.6653 -11.5790 -11.2441 -10.9058 -10.8227 -10.7079 -10.0762 -9.9685 -8.4731 1.0437 1.6174 3.2090 3.6545 3.7591 3.8340 4.0341 4.1302 4.3574 4.4540 4.6685 4.7856 5.1330 5.2404 5.3814 5.5428 5.6404 5.7616 5.8995 6.0587 6.2539 6.3309 6.5472 6.7006 6.7817 7.0847 7.3613 7.3910 7.5948 7.7181 7.7323 8.1089 8.2021 8.3006 8.4453 8.5887 8.8062 9.0357 9.2126 9.3497 9.3559 9.5357 9.7320 9.9196 10.2326 10.4143 10.5390 10.7360 10.8462 11.0466 11.1449 11.4175 11.4745 11.8168 12.0908 12.4143 12.4832 12.7289 12.9902 13.1205 13.2739 13.4151 13.5211 13.6541 13.7617 13.8152 13.9206 14.0697 14.1558 14.2570 14.3175 14.4433 14.4682 14.5582 14.7594 14.8356 15.0013 15.0511 15.1814 15.3975 15.5362 15.7833 15.8587 16.0806 16.2568 16.2715 16.4714 16.6850 16.9196 16.9792 17.2096 17.2637 17.4052 17.7773 18.0059 18.3267 18.3700 18.7860 19.0362 19.1886 19.2694 19.5120 20.0150 20.2037 20.4947 20.8126 20.8740 21.2363 21.2971 21.5987 22.2018 22.3630 22.5270 22.7976 23.1390 23.3737 23.5802 23.7558 23.8338 23.9229 24.1776 24.5492 24.6655 24.7894 25.1538 25.7299 25.8136 26.1889 26.4678 26.5868 26.8788 27.0869 27.1563 27.3491 27.8126 27.8556 28.1064 28.7444 28.9832 29.1291 29.5292 29.7128 29.9073 30.0263 30.2936 30.5140 30.5902 31.1401 31.2760 31.3413 31.5294 31.7829 31.8044 31.9487 32.1397 32.3524 32.5629 32.6595 32.8568 33.2128 33.5075 33.6079 33.7604 33.9190 34.2029 34.3789 34.6702 34.8218 34.9066 35.0077 35.3341 35.6116 35.7469 35.8782 35.9325 36.1607 36.2413 36.6658 36.9587 37.4146 37.4595 37.8074 37.9429 38.3464 38.4885 38.6152 39.0135 39.3177 39.4968 39.8077 39.9150 40.0245 40.3773 40.5460 40.8624 41.0707 41.2798 41.5404 41.6039 41.7390 41.7863 42.0063 42.2197 42.3709 42.5489 42.6418 42.8405 42.9599 43.1666 43.2163 43.5054 43.5818 43.7479 44.0303 44.1151 44.1795 44.5934 44.6849 44.8861 45.0462 45.1846 45.6058 45.8495 46.0485 46.3036 46.3821 46.5833 46.8992 46.9877 47.5634 47.6305 47.9967 48.3702 48.6853 48.8658 48.9788 49.1784 49.3291 49.6660 50.0850 50.3589 50.4492 50.8025 50.9160 51.2926 51.7055 52.0542 52.3658 52.5872 52.9687 53.1675 53.8181 54.4179 54.8972 55.1539 55.9896 56.7486 56.8502 57.4414 58.0168 58.1683 58.3012 59.4313 59.5399 59.7704 60.2078 60.5785 60.8776 61.0046 61.3712 61.4215 61.6573 62.0143 62.4860 62.5610 63.1611 64.1885 64.3842 64.5675 65.3810 66.1978 66.4913 66.5913 67.6311 67.8547 68.1156 68.4946 69.3906 69.7256 69.8752 70.3426 70.8229 71.4364 71.7098 71.9307 72.0969 72.4255 72.5357 72.6516 73.0201 73.0694 73.5478 73.6688 74.0346 74.1007 74.4039 74.8564 75.0678 75.1586 75.8200 76.0197 76.1775 76.4921 76.7764 76.9201 77.4721 77.6601 78.1503 78.3888 78.8965 79.1158 79.4742 79.8988 79.9933 80.1596 80.7708 80.9144 81.0014 81.2002 81.3767 81.5827 81.6969 82.0985 82.1533 82.6333 82.7422 83.0369 83.3620 83.5064 83.7114 84.0480 84.4153 84.6584 84.9025 85.2827 85.7624 86.1249 86.3570 86.4743 86.7302 86.7855 86.8531 87.0208 87.2056 87.4255 87.5098 87.6565 87.8922 88.3162 88.3942 88.4269 88.6993 88.9556 89.1274 89.1929 89.3206 89.3761 89.6035 89.7977 89.8941 90.0355 90.2100 90.2742 90.3375 90.6199 90.7643 91.0666 91.3181 91.4622 91.5853 91.8169 91.8512 92.3037 92.3831 92.7332 92.8669 93.1384 93.2607 93.4818 93.7679 94.1335 94.4349 94.5953 95.0291 95.3251 95.4274 95.8452 95.9658 96.1654 96.6373 96.8923 97.2636 97.4593 97.8139 98.3165 98.5067 98.9056 99.2251 99.6416 99.9525 100.1182 100.3238 100.6353 100.9763 101.2448 101.4395 101.5361 101.7476 101.8370 102.0682 102.4170 102.6047 102.9806 103.4374 103.7405 103.9317 104.0641 104.1704 104.3172 104.8014 104.9569 105.1711 105.3229 105.5929 105.9420 106.3594 106.5486 106.8677 107.1650 107.3021 107.7476 107.8494 108.1514 108.3833 108.4605 108.7004 108.9144 109.1606 109.4739 109.7521 109.8082 110.1346 110.3257 110.6735 110.7458 111.1631 111.1873 111.4163 111.8377 112.0421 112.3613 112.7136 112.8497 113.0835 113.2176 113.4864 113.5946 113.9036 113.9199 114.1469 114.4617 114.7531 114.9708 115.0552 115.1452 115.4144 115.6813 115.7811 115.9747 116.3497 116.5177 116.8217 117.1684 117.3759 117.4327 118.1483 118.2880 118.5218 118.6992 118.9828 119.2181 119.3995 119.6182 119.8058 120.2196 120.3099 120.5042 120.6915 120.8954 121.1651 121.4151 121.7757 121.9024 122.3922 122.4096 122.7052 122.9312 123.0586 123.2743 123.7293 123.7779 123.8636 124.5054 124.7179 125.0882 125.8880 126.3859 126.5221 126.7916 127.4488 127.7812 128.4349 128.4930 128.9770 129.3996 129.5974 129.9335 130.1285 130.4055 130.7306 130.9986 131.3138 131.4825 131.9278 132.1613 132.2717 133.0162 133.6281 134.1104 134.5755 134.7126 135.1169 135.5009 135.9484 136.1548 136.3173 136.5933 136.7097 137.4166 137.6913 137.9383 138.2693 138.5275 138.7885 139.0173 139.4867 139.6681 139.9960 140.0686 140.6339 140.8444 141.2004 141.3901 141.9486 142.1375 142.8311 143.0234 143.7939 144.3231 145.2181 145.7816 145.8161 146.1624 146.4503 146.9960 147.4795 147.5142 147.9802 148.4358 148.5312 148.8914 149.4215 149.6585 150.2783 150.4245 150.7753 151.2429 151.3268 151.7728 152.3501 152.6064 152.7754 153.1267 153.3140 153.3934 153.8379 154.0462 154.3703 154.4501 154.9470 154.9953 155.3419 155.6433 155.8615 156.0118 156.2432 156.9745 157.6742 157.7925 158.3605 158.8098 159.0934 159.7797 159.9661 160.1782 160.3109 160.5624 161.1815 161.5032 161.6392 162.2437 164.7398 167.2718 170.9671 177.0943 177.1621 182.5615 186.5076 187.0853 188.7587 189.0933 189.9941 193.6447 195.8246 197.8885 206.9527 244.6511 259.5660 260.6227 552.7740 617.7719 636.1972 637.0996 638.9048 639.6154 639.8598 642.1522 642.7084 642.8955 643.5035 647.0916 895.6850 1199.3583 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 S O N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.117163 -0.552428 -0.071593 -0.135662 -0.128885 -0.124305 -0.076745 -0.154509 -0.113322 -0.115564 -0.275681 0.326362 -0.275858 -0.062926 0.067510 0.061546 0.058553 0.070649 0.068005 0.074334 0.077206 0.072475 0.075643 0.070038 0.119703 0.112034 0.060473 0.072393 0.093250 0.082318 0.076688 0.158510 0.172626 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 S O N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 15.8828 8.5524 7.0716 6.1357 6.1289 6.1243 6.0767 6.1545 6.1133 6.1156 6.2757 5.6736 6.2759 6.0629 0.9325 0.9385 0.9414 0.9294 0.9320 0.9257 0.9228 0.9275 0.9244 0.9300 0.8803 0.8880 0.9395 0.9276 0.9067 0.9177 0.9233 0.8415 0.8274 16.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1172 -0.5524 -0.0716 -0.1357 -0.1289 -0.1243 -0.0767 -0.1545 -0.1133 -0.1156 -0.2757 0.3264 -0.2759 -0.0629 0.0675 0.0615 0.0586 0.0706 0.0680 0.0743 0.0772 0.0725 0.0756 0.0700 0.1197 0.1120 0.0605 0.0724 0.0933 0.0823 0.0767 0.1585 0.1726 2.5575 1.9595 3.0703 3.9074 3.8784 3.8578 3.7710 3.9014 3.8793 3.8726 3.9284 4.1972 3.9262 3.9818 1.0095 1.0086 1.0140 1.0055 1.0018 1.0117 1.0170 1.0255 1.0069 1.0095 1.0011 1.0200 1.0025 1.0076 1.0050 1.0010 0.9975 0.9994 0.9855 2.5575 1.9595 3.0703 3.9074 3.8784 3.8578 3.7710 3.9014 3.8793 3.8726 3.9284 4.1972 3.9262 3.9818 1.0095 1.0086 1.0140 1.0055 1.0018 1.0117 1.0170 1.0255 1.0069 1.0095 1.0011 1.0200 1.0025 1.0076 1.0050 1.0010 0.9975 0.9994 0.9855 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 1.0085 1.2530 1.8071 0.8584 1.1813 0.9513 0.9207 1.0050 1.0125 0.9186 0.9935 1.0035 0.9306 1.0105 1.0060 0.9130 1.0027 1.0071 0.9350 1.0158 1.0096 1.0125 1.0020 0.9326 1.0046 1.0065 0.9974 0.9939 0.9899 1.1181 1.7285 0.9697 0.9373 0 2 0 13 1 11 2 8 2 11 3 4 3 5 3 14 3 15 4 6 4 16 4 17 5 7 5 18 5 19 6 8 6 20 6 21 7 9 7 22 7 23 8 24 8 25 9 10 9 26 9 27 10 28 10 29 10 30 11 12 12 13 12 31 13 32 -0.012877217 -958.877322646791 35.31269 -35.22238 0.09031 -5.44733 5.44391 -0.00342 4.36480 -2.28587 2.07893 2.08090 5.28921